USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 488 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 ASN : amide:sc= -1.27 K(o=-1.5,f=-0.32) USER MOD Set 1.2: A 55 ASN : amide:sc= -0.482 K(o=-1.5,f=-3) USER MOD Set 1.3: A 75 SER OG : rot -149:sc= 0.256 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 8 ASN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 9 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.045) USER MOD Single : A 11 SER OG : rot -124:sc= 1.23 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -13:sc= -0.482! USER MOD Single : A 23 THR OG1 : rot 149:sc= -0.342 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0205 USER MOD Single : A 37 SER OG : rot -42:sc= 0.854 USER MOD Single : A 39 SER OG : rot 87:sc= 0.663 USER MOD Single : A 42 TYR OH : rot 80:sc= 1.06 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.434 USER MOD Single : A 50 GLN : amide:sc= 1.39 K(o=1.4,f=-6!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 1.41! C(o=1.4!,f=-5.2!) USER MOD Single : A 62 ASN : amide:sc= 0.165 X(o=0.17,f=-0.16) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.863 K(o=0.86,f=-0.0083) USER MOD Single : A 69 ASN : amide:sc= -12.1! C(o=-12!,f=-4.1!) USER MOD Single : A 74 ASN : amide:sc= -0.601! X(o=-0.6!,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 24 N ARG A 3 39.056 -2.724 1.324 1.00 0.00 N ATOM 25 CA ARG A 3 37.893 -1.957 0.881 1.00 0.00 C ATOM 26 C ARG A 3 38.009 -1.635 -0.603 1.00 0.00 C ATOM 27 O ARG A 3 37.012 -1.392 -1.275 1.00 0.00 O ATOM 28 CB ARG A 3 37.693 -0.663 1.698 1.00 0.00 C ATOM 29 CG ARG A 3 38.774 0.408 1.534 1.00 0.00 C ATOM 30 CD ARG A 3 40.022 0.103 2.355 1.00 0.00 C ATOM 31 NE ARG A 3 40.741 1.325 2.737 1.00 0.00 N ATOM 32 CZ ARG A 3 42.044 1.375 3.029 1.00 0.00 C ATOM 33 NH1 ARG A 3 42.806 0.299 2.885 1.00 0.00 N ATOM 34 NH2 ARG A 3 42.587 2.509 3.451 1.00 0.00 N ATOM 0 HA ARG A 3 37.014 -2.579 1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 3 36.733 -0.227 1.422 1.00 0.00 H new ATOM 0 HB3 ARG A 3 37.630 -0.929 2.753 1.00 0.00 H new ATOM 0 HG2 ARG A 3 39.045 0.489 0.481 1.00 0.00 H new ATOM 0 HG3 ARG A 3 38.372 1.376 1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 3 39.740 -0.447 3.253 1.00 0.00 H new ATOM 0 HD3 ARG A 3 40.685 -0.543 1.780 1.00 0.00 H new ATOM 0 HE ARG A 3 40.210 2.195 2.783 1.00 0.00 H new ATOM 0 HH11 ARG A 3 42.398 -0.574 2.550 1.00 0.00 H new ATOM 0 HH12 ARG A 3 43.800 0.344 3.110 1.00 0.00 H new ATOM 0 HH21 ARG A 3 42.010 3.344 3.553 1.00 0.00 H new ATOM 0 HH22 ARG A 3 43.582 2.546 3.674 1.00 0.00 H new ATOM 48 N THR A 4 39.237 -1.629 -1.106 1.00 0.00 N ATOM 49 CA THR A 4 39.497 -1.396 -2.516 1.00 0.00 C ATOM 50 C THR A 4 40.809 -2.089 -2.890 1.00 0.00 C ATOM 51 O THR A 4 41.549 -2.510 -1.995 1.00 0.00 O ATOM 52 CB THR A 4 39.591 0.123 -2.815 1.00 0.00 C ATOM 53 OG1 THR A 4 38.554 0.822 -2.116 1.00 0.00 O ATOM 54 CG2 THR A 4 39.465 0.405 -4.305 1.00 0.00 C ATOM 0 H THR A 4 40.076 -1.785 -0.548 1.00 0.00 H new ATOM 0 HA THR A 4 38.677 -1.802 -3.108 1.00 0.00 H new ATOM 0 HB THR A 4 40.569 0.468 -2.478 1.00 0.00 H new ATOM 0 HG1 THR A 4 38.619 1.781 -2.307 1.00 0.00 H new ATOM 0 HG21 THR A 4 39.535 1.479 -4.479 1.00 0.00 H new ATOM 0 HG22 THR A 4 40.267 -0.103 -4.841 1.00 0.00 H new ATOM 0 HG23 THR A 4 38.502 0.041 -4.664 1.00 0.00 H new ATOM 62 N CYS A 5 41.068 -2.233 -4.190 1.00 0.00 N ATOM 63 CA CYS A 5 42.329 -2.787 -4.695 1.00 0.00 C ATOM 64 C CYS A 5 42.412 -4.305 -4.533 1.00 0.00 C ATOM 65 O CYS A 5 41.873 -4.879 -3.581 1.00 0.00 O ATOM 66 CB CYS A 5 43.529 -2.099 -4.035 1.00 0.00 C ATOM 67 SG CYS A 5 43.725 -0.369 -4.539 1.00 0.00 S ATOM 0 H CYS A 5 40.411 -1.969 -4.924 1.00 0.00 H new ATOM 0 HA CYS A 5 42.356 -2.585 -5.766 1.00 0.00 H new ATOM 0 HB2 CYS A 5 43.415 -2.145 -2.952 1.00 0.00 H new ATOM 0 HB3 CYS A 5 44.437 -2.648 -4.284 1.00 0.00 H new ATOM 72 N PRO A 6 43.075 -4.970 -5.496 1.00 0.00 N ATOM 73 CA PRO A 6 43.247 -6.426 -5.496 1.00 0.00 C ATOM 74 C PRO A 6 44.359 -6.885 -4.547 1.00 0.00 C ATOM 75 O PRO A 6 45.004 -6.062 -3.902 1.00 0.00 O ATOM 76 CB PRO A 6 43.628 -6.712 -6.952 1.00 0.00 C ATOM 77 CG PRO A 6 44.349 -5.491 -7.401 1.00 0.00 C ATOM 78 CD PRO A 6 43.711 -4.340 -6.674 1.00 0.00 C ATOM 0 HA PRO A 6 42.357 -6.952 -5.152 1.00 0.00 H new ATOM 0 HB2 PRO A 6 44.261 -7.596 -7.029 1.00 0.00 H new ATOM 0 HB3 PRO A 6 42.745 -6.898 -7.563 1.00 0.00 H new ATOM 0 HG2 PRO A 6 45.412 -5.558 -7.168 1.00 0.00 H new ATOM 0 HG3 PRO A 6 44.266 -5.364 -8.480 1.00 0.00 H new ATOM 0 HD2 PRO A 6 44.450 -3.596 -6.378 1.00 0.00 H new ATOM 0 HD3 PRO A 6 42.978 -3.830 -7.299 1.00 0.00 H new ATOM 86 N PRO A 7 44.595 -8.208 -4.440 1.00 0.00 N ATOM 87 CA PRO A 7 45.712 -8.747 -3.658 1.00 0.00 C ATOM 88 C PRO A 7 47.060 -8.207 -4.137 1.00 0.00 C ATOM 89 O PRO A 7 47.208 -7.824 -5.302 1.00 0.00 O ATOM 90 CB PRO A 7 45.625 -10.265 -3.878 1.00 0.00 C ATOM 91 CG PRO A 7 44.734 -10.442 -5.062 1.00 0.00 C ATOM 92 CD PRO A 7 43.786 -9.279 -5.039 1.00 0.00 C ATOM 0 HA PRO A 7 45.645 -8.463 -2.608 1.00 0.00 H new ATOM 0 HB2 PRO A 7 46.611 -10.693 -4.060 1.00 0.00 H new ATOM 0 HB3 PRO A 7 45.217 -10.767 -3.000 1.00 0.00 H new ATOM 0 HG2 PRO A 7 45.311 -10.458 -5.987 1.00 0.00 H new ATOM 0 HG3 PRO A 7 44.194 -11.387 -5.007 1.00 0.00 H new ATOM 0 HD2 PRO A 7 43.445 -9.016 -6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 7 42.897 -9.494 -4.446 1.00 0.00 H new ATOM 100 N ASN A 8 48.027 -8.161 -3.217 1.00 0.00 N ATOM 101 CA ASN A 8 49.366 -7.628 -3.491 1.00 0.00 C ATOM 102 C ASN A 8 49.291 -6.127 -3.753 1.00 0.00 C ATOM 103 O ASN A 8 50.237 -5.515 -4.247 1.00 0.00 O ATOM 104 CB ASN A 8 50.021 -8.346 -4.681 1.00 0.00 C ATOM 105 CG ASN A 8 51.542 -8.318 -4.624 1.00 0.00 C ATOM 106 OD1 ASN A 8 52.162 -9.208 -4.052 1.00 0.00 O ATOM 107 ND2 ASN A 8 52.153 -7.304 -5.217 1.00 0.00 N ATOM 0 H ASN A 8 47.905 -8.492 -2.260 1.00 0.00 H new ATOM 0 HA ASN A 8 49.986 -7.805 -2.612 1.00 0.00 H new ATOM 0 HB2 ASN A 8 49.682 -9.382 -4.706 1.00 0.00 H new ATOM 0 HB3 ASN A 8 49.688 -7.880 -5.608 1.00 0.00 H new ATOM 0 HD21 ASN A 8 53.171 -7.246 -5.207 1.00 0.00 H new ATOM 0 HD22 ASN A 8 51.605 -6.581 -5.684 1.00 0.00 H new ATOM 114 N GLN A 9 48.165 -5.535 -3.390 1.00 0.00 N ATOM 115 CA GLN A 9 47.926 -4.123 -3.604 1.00 0.00 C ATOM 116 C GLN A 9 47.367 -3.511 -2.334 1.00 0.00 C ATOM 117 O GLN A 9 46.918 -4.221 -1.433 1.00 0.00 O ATOM 118 CB GLN A 9 46.937 -3.896 -4.755 1.00 0.00 C ATOM 119 CG GLN A 9 47.505 -3.128 -5.946 1.00 0.00 C ATOM 120 CD GLN A 9 48.571 -3.898 -6.710 1.00 0.00 C ATOM 121 OE1 GLN A 9 49.462 -3.307 -7.319 1.00 0.00 O ATOM 122 NE2 GLN A 9 48.490 -5.220 -6.685 1.00 0.00 N ATOM 0 H GLN A 9 47.392 -6.023 -2.938 1.00 0.00 H new ATOM 0 HA GLN A 9 48.872 -3.650 -3.866 1.00 0.00 H new ATOM 0 HB2 GLN A 9 46.578 -4.865 -5.103 1.00 0.00 H new ATOM 0 HB3 GLN A 9 46.072 -3.355 -4.371 1.00 0.00 H new ATOM 0 HG2 GLN A 9 46.692 -2.875 -6.627 1.00 0.00 H new ATOM 0 HG3 GLN A 9 47.929 -2.188 -5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 9 47.737 -5.675 -6.169 1.00 0.00 H new ATOM 0 HE22 GLN A 9 49.181 -5.783 -7.182 1.00 0.00 H new ATOM 131 N PHE A 10 47.412 -2.205 -2.269 1.00 0.00 N ATOM 132 CA PHE A 10 46.862 -1.467 -1.159 1.00 0.00 C ATOM 133 C PHE A 10 46.015 -0.322 -1.696 1.00 0.00 C ATOM 134 O PHE A 10 46.322 0.261 -2.734 1.00 0.00 O ATOM 135 CB PHE A 10 47.987 -0.955 -0.245 1.00 0.00 C ATOM 136 CG PHE A 10 47.518 -0.040 0.854 1.00 0.00 C ATOM 137 CD1 PHE A 10 46.592 -0.473 1.788 1.00 0.00 C ATOM 138 CD2 PHE A 10 47.984 1.265 0.936 1.00 0.00 C ATOM 139 CE1 PHE A 10 46.144 0.371 2.785 1.00 0.00 C ATOM 140 CE2 PHE A 10 47.534 2.112 1.926 1.00 0.00 C ATOM 141 CZ PHE A 10 46.614 1.668 2.850 1.00 0.00 C ATOM 0 H PHE A 10 47.834 -1.619 -2.989 1.00 0.00 H new ATOM 0 HA PHE A 10 46.228 -2.120 -0.558 1.00 0.00 H new ATOM 0 HB2 PHE A 10 48.495 -1.810 0.201 1.00 0.00 H new ATOM 0 HB3 PHE A 10 48.723 -0.428 -0.853 1.00 0.00 H new ATOM 0 HD1 PHE A 10 46.215 -1.484 1.736 1.00 0.00 H new ATOM 0 HD2 PHE A 10 48.707 1.620 0.217 1.00 0.00 H new ATOM 0 HE1 PHE A 10 45.428 0.018 3.512 1.00 0.00 H new ATOM 0 HE2 PHE A 10 47.903 3.126 1.977 1.00 0.00 H new ATOM 0 HZ PHE A 10 46.261 2.333 3.624 1.00 0.00 H new ATOM 151 N SER A 11 44.960 -0.011 -0.985 1.00 0.00 N ATOM 152 CA SER A 11 44.004 0.967 -1.416 1.00 0.00 C ATOM 153 C SER A 11 44.132 2.236 -0.608 1.00 0.00 C ATOM 154 O SER A 11 43.763 2.284 0.563 1.00 0.00 O ATOM 155 CB SER A 11 42.594 0.399 -1.297 1.00 0.00 C ATOM 156 OG SER A 11 42.535 -0.619 -0.307 1.00 0.00 O ATOM 0 H SER A 11 44.743 -0.436 -0.083 1.00 0.00 H new ATOM 0 HA SER A 11 44.202 1.211 -2.460 1.00 0.00 H new ATOM 0 HB2 SER A 11 41.897 1.198 -1.044 1.00 0.00 H new ATOM 0 HB3 SER A 11 42.279 -0.006 -2.259 1.00 0.00 H new ATOM 0 HG SER A 11 42.187 -1.444 -0.706 1.00 0.00 H new ATOM 162 N CYS A 12 44.691 3.247 -1.240 1.00 0.00 N ATOM 163 CA CYS A 12 44.795 4.550 -0.628 1.00 0.00 C ATOM 164 C CYS A 12 43.399 5.142 -0.463 1.00 0.00 C ATOM 165 O CYS A 12 42.523 4.895 -1.299 1.00 0.00 O ATOM 166 CB CYS A 12 45.684 5.471 -1.464 1.00 0.00 C ATOM 167 SG CYS A 12 45.948 7.126 -0.747 1.00 0.00 S ATOM 0 H CYS A 12 45.081 3.188 -2.181 1.00 0.00 H new ATOM 0 HA CYS A 12 45.257 4.450 0.354 1.00 0.00 H new ATOM 0 HB2 CYS A 12 46.653 4.991 -1.603 1.00 0.00 H new ATOM 0 HB3 CYS A 12 45.239 5.584 -2.453 1.00 0.00 H new ATOM 172 N ALA A 13 43.230 5.925 0.603 1.00 0.00 N ATOM 173 CA ALA A 13 41.934 6.447 1.056 1.00 0.00 C ATOM 174 C ALA A 13 40.900 6.612 -0.053 1.00 0.00 C ATOM 175 O ALA A 13 40.911 7.600 -0.797 1.00 0.00 O ATOM 176 CB ALA A 13 42.136 7.774 1.765 1.00 0.00 C ATOM 0 H ALA A 13 44.008 6.223 1.192 1.00 0.00 H new ATOM 0 HA ALA A 13 41.530 5.697 1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 13 41.172 8.158 2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 13 42.788 7.631 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 13 42.592 8.487 1.079 1.00 0.00 H new ATOM 182 N SER A 14 40.032 5.597 -0.146 1.00 0.00 N ATOM 183 CA SER A 14 38.861 5.587 -1.020 1.00 0.00 C ATOM 184 C SER A 14 39.135 6.162 -2.406 1.00 0.00 C ATOM 185 O SER A 14 38.775 7.304 -2.701 1.00 0.00 O ATOM 186 CB SER A 14 37.710 6.337 -0.350 1.00 0.00 C ATOM 187 OG SER A 14 37.429 5.790 0.932 1.00 0.00 O ATOM 0 H SER A 14 40.130 4.741 0.399 1.00 0.00 H new ATOM 0 HA SER A 14 38.589 4.543 -1.173 1.00 0.00 H new ATOM 0 HB2 SER A 14 37.966 7.392 -0.252 1.00 0.00 H new ATOM 0 HB3 SER A 14 36.820 6.282 -0.977 1.00 0.00 H new ATOM 0 HG SER A 14 36.691 6.285 1.344 1.00 0.00 H new ATOM 193 N GLY A 15 39.790 5.382 -3.251 1.00 0.00 N ATOM 194 CA GLY A 15 39.929 5.783 -4.633 1.00 0.00 C ATOM 195 C GLY A 15 41.235 5.353 -5.260 1.00 0.00 C ATOM 196 O GLY A 15 41.257 4.903 -6.403 1.00 0.00 O ATOM 0 H GLY A 15 40.222 4.490 -3.009 1.00 0.00 H new ATOM 0 HA2 GLY A 15 39.104 5.364 -5.209 1.00 0.00 H new ATOM 0 HA3 GLY A 15 39.844 6.868 -4.698 1.00 0.00 H new ATOM 200 N ARG A 16 42.328 5.488 -4.524 1.00 0.00 N ATOM 201 CA ARG A 16 43.643 5.263 -5.101 1.00 0.00 C ATOM 202 C ARG A 16 44.064 3.814 -4.916 1.00 0.00 C ATOM 203 O ARG A 16 43.560 3.121 -4.033 1.00 0.00 O ATOM 204 CB ARG A 16 44.684 6.223 -4.510 1.00 0.00 C ATOM 205 CG ARG A 16 44.412 7.693 -4.815 1.00 0.00 C ATOM 206 CD ARG A 16 43.275 8.246 -3.967 1.00 0.00 C ATOM 207 NE ARG A 16 42.611 9.385 -4.604 1.00 0.00 N ATOM 208 CZ ARG A 16 41.416 9.850 -4.236 1.00 0.00 C ATOM 209 NH1 ARG A 16 40.787 9.327 -3.187 1.00 0.00 N ATOM 210 NH2 ARG A 16 40.853 10.843 -4.917 1.00 0.00 N ATOM 0 H ARG A 16 42.331 5.749 -3.538 1.00 0.00 H new ATOM 0 HA ARG A 16 43.583 5.467 -6.170 1.00 0.00 H new ATOM 0 HB2 ARG A 16 44.718 6.086 -3.429 1.00 0.00 H new ATOM 0 HB3 ARG A 16 45.669 5.958 -4.896 1.00 0.00 H new ATOM 0 HG2 ARG A 16 45.316 8.275 -4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 16 44.166 7.806 -5.871 1.00 0.00 H new ATOM 0 HD2 ARG A 16 42.544 7.458 -3.784 1.00 0.00 H new ATOM 0 HD3 ARG A 16 43.664 8.552 -2.996 1.00 0.00 H new ATOM 0 HE ARG A 16 43.090 9.850 -5.375 1.00 0.00 H new ATOM 0 HH11 ARG A 16 41.218 8.567 -2.660 1.00 0.00 H new ATOM 0 HH12 ARG A 16 39.873 9.686 -2.909 1.00 0.00 H new ATOM 0 HH21 ARG A 16 41.335 11.248 -5.720 1.00 0.00 H new ATOM 0 HH22 ARG A 16 39.939 11.200 -4.637 1.00 0.00 H new ATOM 224 N CYS A 17 45.001 3.370 -5.734 1.00 0.00 N ATOM 225 CA CYS A 17 45.399 1.979 -5.751 1.00 0.00 C ATOM 226 C CYS A 17 46.900 1.897 -5.925 1.00 0.00 C ATOM 227 O CYS A 17 47.442 2.326 -6.943 1.00 0.00 O ATOM 228 CB CYS A 17 44.697 1.230 -6.887 1.00 0.00 C ATOM 229 SG CYS A 17 44.312 -0.498 -6.476 1.00 0.00 S ATOM 0 H CYS A 17 45.502 3.959 -6.399 1.00 0.00 H new ATOM 0 HA CYS A 17 45.111 1.513 -4.809 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.774 1.751 -7.140 1.00 0.00 H new ATOM 0 HB3 CYS A 17 45.330 1.253 -7.774 1.00 0.00 H new ATOM 234 N ILE A 18 47.566 1.382 -4.916 1.00 0.00 N ATOM 235 CA ILE A 18 49.009 1.324 -4.903 1.00 0.00 C ATOM 236 C ILE A 18 49.450 -0.112 -4.649 1.00 0.00 C ATOM 237 O ILE A 18 48.700 -0.879 -4.057 1.00 0.00 O ATOM 238 CB ILE A 18 49.566 2.260 -3.798 1.00 0.00 C ATOM 239 CG1 ILE A 18 49.243 1.724 -2.410 1.00 0.00 C ATOM 240 CG2 ILE A 18 48.961 3.646 -3.916 1.00 0.00 C ATOM 241 CD1 ILE A 18 50.423 1.112 -1.693 1.00 0.00 C ATOM 0 H ILE A 18 47.123 0.993 -4.084 1.00 0.00 H new ATOM 0 HA ILE A 18 49.397 1.655 -5.866 1.00 0.00 H new ATOM 0 HB ILE A 18 50.647 2.306 -3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 18 48.845 2.537 -1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 18 48.456 0.975 -2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 18 49.364 4.287 -3.132 1.00 0.00 H new ATOM 0 HG22 ILE A 18 49.205 4.068 -4.891 1.00 0.00 H new ATOM 0 HG23 ILE A 18 47.878 3.581 -3.810 1.00 0.00 H new ATOM 0 HD11 ILE A 18 50.108 0.755 -0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 18 50.810 0.276 -2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 18 51.204 1.862 -1.572 1.00 0.00 H new ATOM 253 N PRO A 19 50.635 -0.524 -5.106 1.00 0.00 N ATOM 254 CA PRO A 19 51.155 -1.844 -4.771 1.00 0.00 C ATOM 255 C PRO A 19 51.516 -1.908 -3.292 1.00 0.00 C ATOM 256 O PRO A 19 52.270 -1.079 -2.802 1.00 0.00 O ATOM 257 CB PRO A 19 52.396 -2.005 -5.655 1.00 0.00 C ATOM 258 CG PRO A 19 52.363 -0.863 -6.620 1.00 0.00 C ATOM 259 CD PRO A 19 51.550 0.226 -5.970 1.00 0.00 C ATOM 0 HA PRO A 19 50.431 -2.640 -4.943 1.00 0.00 H new ATOM 0 HB2 PRO A 19 53.307 -1.985 -5.057 1.00 0.00 H new ATOM 0 HB3 PRO A 19 52.381 -2.960 -6.180 1.00 0.00 H new ATOM 0 HG2 PRO A 19 53.371 -0.514 -6.842 1.00 0.00 H new ATOM 0 HG3 PRO A 19 51.916 -1.168 -7.566 1.00 0.00 H new ATOM 0 HD2 PRO A 19 52.176 0.911 -5.398 1.00 0.00 H new ATOM 0 HD3 PRO A 19 51.013 0.824 -6.706 1.00 0.00 H new ATOM 267 N ILE A 20 50.963 -2.884 -2.584 1.00 0.00 N ATOM 268 CA ILE A 20 51.077 -2.935 -1.128 1.00 0.00 C ATOM 269 C ILE A 20 52.531 -3.028 -0.694 1.00 0.00 C ATOM 270 O ILE A 20 53.362 -3.499 -1.460 1.00 0.00 O ATOM 271 CB ILE A 20 50.276 -4.119 -0.557 1.00 0.00 C ATOM 272 CG1 ILE A 20 50.033 -3.946 0.942 1.00 0.00 C ATOM 273 CG2 ILE A 20 50.981 -5.442 -0.839 1.00 0.00 C ATOM 274 CD1 ILE A 20 49.147 -5.018 1.539 1.00 0.00 C ATOM 0 H ILE A 20 50.430 -3.652 -2.992 1.00 0.00 H new ATOM 0 HA ILE A 20 50.660 -2.009 -0.732 1.00 0.00 H new ATOM 0 HB ILE A 20 49.307 -4.137 -1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 20 50.992 -3.949 1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 20 49.579 -2.971 1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 20 50.394 -6.262 -0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 20 51.084 -5.577 -1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 20 51.969 -5.434 -0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 20 49.018 -4.831 2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 20 48.174 -5.001 1.048 1.00 0.00 H new ATOM 0 HD13 ILE A 20 49.610 -5.994 1.395 1.00 0.00 H new ATOM 286 N SER A 21 52.803 -2.573 0.535 1.00 0.00 N ATOM 287 CA SER A 21 54.158 -2.499 1.094 1.00 0.00 C ATOM 288 C SER A 21 54.848 -1.229 0.613 1.00 0.00 C ATOM 289 O SER A 21 56.060 -1.070 0.733 1.00 0.00 O ATOM 290 CB SER A 21 54.985 -3.734 0.735 1.00 0.00 C ATOM 291 OG SER A 21 55.979 -4.008 1.700 1.00 0.00 O ATOM 0 H SER A 21 52.081 -2.243 1.176 1.00 0.00 H new ATOM 0 HA SER A 21 54.076 -2.471 2.181 1.00 0.00 H new ATOM 0 HB2 SER A 21 54.325 -4.596 0.640 1.00 0.00 H new ATOM 0 HB3 SER A 21 55.456 -3.584 -0.237 1.00 0.00 H new ATOM 0 HG SER A 21 56.072 -3.240 2.301 1.00 0.00 H new ATOM 297 N TRP A 22 54.060 -0.350 0.022 1.00 0.00 N ATOM 298 CA TRP A 22 54.508 1.019 -0.239 1.00 0.00 C ATOM 299 C TRP A 22 54.007 1.963 0.854 1.00 0.00 C ATOM 300 O TRP A 22 54.239 3.166 0.803 1.00 0.00 O ATOM 301 CB TRP A 22 53.989 1.513 -1.590 1.00 0.00 C ATOM 302 CG TRP A 22 54.648 0.882 -2.773 1.00 0.00 C ATOM 303 CD1 TRP A 22 55.266 -0.327 -2.816 1.00 0.00 C ATOM 304 CD2 TRP A 22 54.738 1.429 -4.093 1.00 0.00 C ATOM 305 NE1 TRP A 22 55.746 -0.568 -4.078 1.00 0.00 N ATOM 306 CE2 TRP A 22 55.437 0.497 -4.881 1.00 0.00 C ATOM 307 CE3 TRP A 22 54.298 2.618 -4.683 1.00 0.00 C ATOM 308 CZ2 TRP A 22 55.707 0.717 -6.230 1.00 0.00 C ATOM 309 CZ3 TRP A 22 54.568 2.835 -6.023 1.00 0.00 C ATOM 310 CH2 TRP A 22 55.269 1.890 -6.781 1.00 0.00 C ATOM 0 H TRP A 22 53.109 -0.551 -0.288 1.00 0.00 H new ATOM 0 HA TRP A 22 55.598 1.013 -0.250 1.00 0.00 H new ATOM 0 HB2 TRP A 22 52.917 1.326 -1.644 1.00 0.00 H new ATOM 0 HB3 TRP A 22 54.127 2.593 -1.646 1.00 0.00 H new ATOM 0 HD1 TRP A 22 55.365 -1.001 -1.978 1.00 0.00 H new ATOM 0 HE1 TRP A 22 56.251 -1.405 -4.371 1.00 0.00 H new ATOM 0 HE3 TRP A 22 53.758 3.353 -4.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 56.243 -0.012 -6.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 54.232 3.748 -6.491 1.00 0.00 H new ATOM 0 HH2 TRP A 22 55.468 2.091 -7.823 1.00 0.00 H new ATOM 321 N THR A 23 53.346 1.405 1.857 1.00 0.00 N ATOM 322 CA THR A 23 52.553 2.201 2.772 1.00 0.00 C ATOM 323 C THR A 23 53.164 2.274 4.180 1.00 0.00 C ATOM 324 O THR A 23 54.138 2.990 4.405 1.00 0.00 O ATOM 325 CB THR A 23 51.086 1.676 2.788 1.00 0.00 C ATOM 326 OG1 THR A 23 50.348 2.195 3.900 1.00 0.00 O ATOM 327 CG2 THR A 23 51.035 0.145 2.780 1.00 0.00 C ATOM 0 H THR A 23 53.345 0.404 2.055 1.00 0.00 H new ATOM 0 HA THR A 23 52.549 3.229 2.410 1.00 0.00 H new ATOM 0 HB THR A 23 50.614 2.036 1.874 1.00 0.00 H new ATOM 0 HG1 THR A 23 49.405 2.289 3.651 1.00 0.00 H new ATOM 0 HG21 THR A 23 49.996 -0.185 2.792 1.00 0.00 H new ATOM 0 HG22 THR A 23 51.525 -0.231 1.882 1.00 0.00 H new ATOM 0 HG23 THR A 23 51.548 -0.241 3.661 1.00 0.00 H new ATOM 335 N CYS A 24 52.592 1.532 5.110 1.00 0.00 N ATOM 336 CA CYS A 24 52.970 1.567 6.509 1.00 0.00 C ATOM 337 C CYS A 24 54.266 0.810 6.778 1.00 0.00 C ATOM 338 O CYS A 24 54.314 -0.037 7.678 1.00 0.00 O ATOM 339 CB CYS A 24 51.849 0.932 7.317 1.00 0.00 C ATOM 340 SG CYS A 24 50.198 1.635 6.997 1.00 0.00 S ATOM 0 H CYS A 24 51.837 0.876 4.909 1.00 0.00 H new ATOM 0 HA CYS A 24 53.134 2.606 6.794 1.00 0.00 H new ATOM 0 HB2 CYS A 24 51.823 -0.136 7.103 1.00 0.00 H new ATOM 0 HB3 CYS A 24 52.077 1.039 8.378 1.00 0.00 H new ATOM 345 N ASP A 25 55.310 1.120 6.028 1.00 0.00 N ATOM 346 CA ASP A 25 56.561 0.384 6.136 1.00 0.00 C ATOM 347 C ASP A 25 57.753 1.176 5.603 1.00 0.00 C ATOM 348 O ASP A 25 58.671 0.607 5.006 1.00 0.00 O ATOM 349 CB ASP A 25 56.453 -0.988 5.448 1.00 0.00 C ATOM 350 CG ASP A 25 55.802 -0.988 4.064 1.00 0.00 C ATOM 351 OD1 ASP A 25 55.073 -0.032 3.702 1.00 0.00 O ATOM 352 OD2 ASP A 25 55.974 -1.997 3.355 1.00 0.00 O ATOM 0 H ASP A 25 55.318 1.873 5.340 1.00 0.00 H new ATOM 0 HA ASP A 25 56.743 0.222 7.198 1.00 0.00 H new ATOM 0 HB2 ASP A 25 57.455 -1.408 5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 25 55.885 -1.655 6.096 1.00 0.00 H new ATOM 357 N LEU A 26 57.749 2.484 5.874 1.00 0.00 N ATOM 358 CA LEU A 26 58.888 3.368 5.591 1.00 0.00 C ATOM 359 C LEU A 26 59.046 3.627 4.094 1.00 0.00 C ATOM 360 O LEU A 26 60.120 4.020 3.630 1.00 0.00 O ATOM 361 CB LEU A 26 60.191 2.796 6.191 1.00 0.00 C ATOM 362 CG LEU A 26 60.164 2.561 7.708 1.00 0.00 C ATOM 363 CD1 LEU A 26 61.483 1.968 8.176 1.00 0.00 C ATOM 364 CD2 LEU A 26 59.874 3.859 8.445 1.00 0.00 C ATOM 0 H LEU A 26 56.954 2.963 6.297 1.00 0.00 H new ATOM 0 HA LEU A 26 58.683 4.327 6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 26 60.415 1.851 5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 26 61.009 3.478 5.960 1.00 0.00 H new ATOM 0 HG LEU A 26 59.366 1.853 7.932 1.00 0.00 H new ATOM 0 HD11 LEU A 26 61.448 1.807 9.254 1.00 0.00 H new ATOM 0 HD12 LEU A 26 61.653 1.016 7.673 1.00 0.00 H new ATOM 0 HD13 LEU A 26 62.295 2.655 7.938 1.00 0.00 H new ATOM 0 HD21 LEU A 26 59.859 3.672 9.519 1.00 0.00 H new ATOM 0 HD22 LEU A 26 60.650 4.589 8.215 1.00 0.00 H new ATOM 0 HD23 LEU A 26 58.905 4.247 8.131 1.00 0.00 H new ATOM 376 N ASP A 27 57.965 3.430 3.355 1.00 0.00 N ATOM 377 CA ASP A 27 57.924 3.754 1.934 1.00 0.00 C ATOM 378 C ASP A 27 56.989 4.950 1.759 1.00 0.00 C ATOM 379 O ASP A 27 56.683 5.619 2.748 1.00 0.00 O ATOM 380 CB ASP A 27 57.442 2.541 1.138 1.00 0.00 C ATOM 381 CG ASP A 27 57.941 2.549 -0.293 1.00 0.00 C ATOM 382 OD1 ASP A 27 59.035 1.995 -0.544 1.00 0.00 O ATOM 383 OD2 ASP A 27 57.244 3.092 -1.172 1.00 0.00 O ATOM 0 H ASP A 27 57.094 3.043 3.719 1.00 0.00 H new ATOM 0 HA ASP A 27 58.915 4.011 1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 27 57.779 1.630 1.632 1.00 0.00 H new ATOM 0 HB3 ASP A 27 56.352 2.520 1.139 1.00 0.00 H new ATOM 388 N ASP A 28 56.532 5.250 0.546 1.00 0.00 N ATOM 389 CA ASP A 28 55.649 6.402 0.378 1.00 0.00 C ATOM 390 C ASP A 28 54.595 6.189 -0.708 1.00 0.00 C ATOM 391 O ASP A 28 54.901 5.903 -1.866 1.00 0.00 O ATOM 392 CB ASP A 28 56.446 7.699 0.114 1.00 0.00 C ATOM 393 CG ASP A 28 57.066 7.791 -1.275 1.00 0.00 C ATOM 394 OD1 ASP A 28 58.191 7.279 -1.467 1.00 0.00 O ATOM 395 OD2 ASP A 28 56.444 8.419 -2.166 1.00 0.00 O ATOM 0 H ASP A 28 56.748 4.734 -0.307 1.00 0.00 H new ATOM 0 HA ASP A 28 55.118 6.511 1.324 1.00 0.00 H new ATOM 0 HB2 ASP A 28 55.784 8.553 0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 28 57.239 7.780 0.858 1.00 0.00 H new ATOM 400 N ASP A 29 53.335 6.308 -0.302 1.00 0.00 N ATOM 401 CA ASP A 29 52.226 6.412 -1.240 1.00 0.00 C ATOM 402 C ASP A 29 51.241 7.487 -0.764 1.00 0.00 C ATOM 403 O ASP A 29 51.321 8.637 -1.197 1.00 0.00 O ATOM 404 CB ASP A 29 51.543 5.041 -1.513 1.00 0.00 C ATOM 405 CG ASP A 29 50.828 4.414 -0.320 1.00 0.00 C ATOM 406 OD1 ASP A 29 51.482 3.757 0.507 1.00 0.00 O ATOM 407 OD2 ASP A 29 49.591 4.576 -0.223 1.00 0.00 O ATOM 0 H ASP A 29 53.057 6.335 0.679 1.00 0.00 H new ATOM 0 HA ASP A 29 52.622 6.724 -2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 29 50.822 5.168 -2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 29 52.300 4.342 -1.869 1.00 0.00 H new ATOM 412 N CYS A 30 50.325 7.116 0.109 1.00 0.00 N ATOM 413 CA CYS A 30 49.432 8.049 0.778 1.00 0.00 C ATOM 414 C CYS A 30 48.637 7.328 1.846 1.00 0.00 C ATOM 415 O CYS A 30 48.210 7.943 2.821 1.00 0.00 O ATOM 416 CB CYS A 30 48.476 8.744 -0.189 1.00 0.00 C ATOM 417 SG CYS A 30 47.766 7.656 -1.470 1.00 0.00 S ATOM 0 H CYS A 30 50.176 6.144 0.379 1.00 0.00 H new ATOM 0 HA CYS A 30 50.057 8.820 1.229 1.00 0.00 H new ATOM 0 HB2 CYS A 30 47.662 9.189 0.383 1.00 0.00 H new ATOM 0 HB3 CYS A 30 49.006 9.561 -0.678 1.00 0.00 H new ATOM 422 N GLY A 31 48.428 6.022 1.649 1.00 0.00 N ATOM 423 CA GLY A 31 47.710 5.222 2.614 1.00 0.00 C ATOM 424 C GLY A 31 46.319 5.741 2.855 1.00 0.00 C ATOM 425 O GLY A 31 45.388 5.418 2.129 1.00 0.00 O ATOM 0 H GLY A 31 48.750 5.509 0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 31 47.656 4.192 2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 31 48.260 5.209 3.555 1.00 0.00 H new ATOM 429 N ASP A 32 46.200 6.583 3.856 1.00 0.00 N ATOM 430 CA ASP A 32 44.918 7.195 4.211 1.00 0.00 C ATOM 431 C ASP A 32 45.156 8.619 4.682 1.00 0.00 C ATOM 432 O ASP A 32 44.391 9.163 5.474 1.00 0.00 O ATOM 433 CB ASP A 32 44.206 6.386 5.305 1.00 0.00 C ATOM 434 CG ASP A 32 43.648 5.069 4.796 1.00 0.00 C ATOM 435 OD1 ASP A 32 42.510 5.062 4.269 1.00 0.00 O ATOM 436 OD2 ASP A 32 44.344 4.035 4.921 1.00 0.00 O ATOM 0 H ASP A 32 46.978 6.869 4.451 1.00 0.00 H new ATOM 0 HA ASP A 32 44.276 7.203 3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 32 44.905 6.189 6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 32 43.394 6.983 5.721 1.00 0.00 H new ATOM 441 N ARG A 33 46.230 9.214 4.158 1.00 0.00 N ATOM 442 CA ARG A 33 46.752 10.492 4.644 1.00 0.00 C ATOM 443 C ARG A 33 47.314 10.268 6.042 1.00 0.00 C ATOM 444 O ARG A 33 47.515 11.190 6.832 1.00 0.00 O ATOM 445 CB ARG A 33 45.678 11.587 4.648 1.00 0.00 C ATOM 446 CG ARG A 33 46.240 12.971 4.916 1.00 0.00 C ATOM 447 CD ARG A 33 45.141 14.017 4.997 1.00 0.00 C ATOM 448 NE ARG A 33 44.364 14.111 3.755 1.00 0.00 N ATOM 449 CZ ARG A 33 43.611 15.161 3.423 1.00 0.00 C ATOM 450 NH1 ARG A 33 43.524 16.202 4.245 1.00 0.00 N ATOM 451 NH2 ARG A 33 42.940 15.163 2.271 1.00 0.00 N ATOM 0 H ARG A 33 46.763 8.821 3.382 1.00 0.00 H new ATOM 0 HA ARG A 33 47.537 10.841 3.973 1.00 0.00 H new ATOM 0 HB2 ARG A 33 45.166 11.589 3.686 1.00 0.00 H new ATOM 0 HB3 ARG A 33 44.931 11.352 5.406 1.00 0.00 H new ATOM 0 HG2 ARG A 33 46.803 12.961 5.850 1.00 0.00 H new ATOM 0 HG3 ARG A 33 46.940 13.239 4.125 1.00 0.00 H new ATOM 0 HD2 ARG A 33 44.472 13.774 5.823 1.00 0.00 H new ATOM 0 HD3 ARG A 33 45.583 14.988 5.220 1.00 0.00 H new ATOM 0 HE ARG A 33 44.402 13.325 3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 33 44.033 16.198 5.129 1.00 0.00 H new ATOM 0 HH12 ARG A 33 42.948 17.005 3.992 1.00 0.00 H new ATOM 0 HH21 ARG A 33 43.002 14.362 1.643 1.00 0.00 H new ATOM 0 HH22 ARG A 33 42.364 15.966 2.017 1.00 0.00 H new ATOM 465 N SER A 34 47.567 9.005 6.312 1.00 0.00 N ATOM 466 CA SER A 34 48.089 8.548 7.583 1.00 0.00 C ATOM 467 C SER A 34 48.869 7.268 7.345 1.00 0.00 C ATOM 468 O SER A 34 49.054 6.453 8.249 1.00 0.00 O ATOM 469 CB SER A 34 46.942 8.312 8.572 1.00 0.00 C ATOM 470 OG SER A 34 46.209 9.504 8.789 1.00 0.00 O ATOM 0 H SER A 34 47.413 8.252 5.641 1.00 0.00 H new ATOM 0 HA SER A 34 48.747 9.302 8.014 1.00 0.00 H new ATOM 0 HB2 SER A 34 46.279 7.537 8.188 1.00 0.00 H new ATOM 0 HB3 SER A 34 47.342 7.949 9.519 1.00 0.00 H new ATOM 0 HG SER A 34 45.481 9.330 9.422 1.00 0.00 H new ATOM 476 N ASP A 35 49.347 7.136 6.105 1.00 0.00 N ATOM 477 CA ASP A 35 50.048 5.936 5.631 1.00 0.00 C ATOM 478 C ASP A 35 51.206 5.538 6.529 1.00 0.00 C ATOM 479 O ASP A 35 51.552 4.364 6.633 1.00 0.00 O ATOM 480 CB ASP A 35 50.570 6.171 4.214 1.00 0.00 C ATOM 481 CG ASP A 35 51.264 7.517 4.071 1.00 0.00 C ATOM 482 OD1 ASP A 35 50.573 8.558 4.200 1.00 0.00 O ATOM 483 OD2 ASP A 35 52.483 7.541 3.843 1.00 0.00 O ATOM 0 H ASP A 35 49.259 7.863 5.395 1.00 0.00 H new ATOM 0 HA ASP A 35 49.326 5.119 5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 35 51.266 5.376 3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 35 49.740 6.116 3.510 1.00 0.00 H new ATOM 488 N GLU A 36 51.767 6.509 7.203 1.00 0.00 N ATOM 489 CA GLU A 36 52.935 6.264 8.028 1.00 0.00 C ATOM 490 C GLU A 36 52.611 6.268 9.512 1.00 0.00 C ATOM 491 O GLU A 36 52.417 7.320 10.124 1.00 0.00 O ATOM 492 CB GLU A 36 54.033 7.278 7.729 1.00 0.00 C ATOM 493 CG GLU A 36 55.060 6.749 6.749 1.00 0.00 C ATOM 494 CD GLU A 36 55.682 5.453 7.235 1.00 0.00 C ATOM 495 OE1 GLU A 36 56.018 5.367 8.440 1.00 0.00 O ATOM 496 OE2 GLU A 36 55.808 4.505 6.438 1.00 0.00 O ATOM 0 H GLU A 36 51.440 7.475 7.201 1.00 0.00 H new ATOM 0 HA GLU A 36 53.291 5.265 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 36 53.585 8.186 7.326 1.00 0.00 H new ATOM 0 HB3 GLU A 36 54.531 7.554 8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 36 54.588 6.586 5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 36 55.841 7.495 6.602 1.00 0.00 H new ATOM 503 N SER A 37 52.504 5.058 10.058 1.00 0.00 N ATOM 504 CA SER A 37 52.437 4.827 11.503 1.00 0.00 C ATOM 505 C SER A 37 51.147 5.361 12.135 1.00 0.00 C ATOM 506 O SER A 37 50.987 5.313 13.356 1.00 0.00 O ATOM 507 CB SER A 37 53.668 5.443 12.186 1.00 0.00 C ATOM 508 OG SER A 37 53.684 5.172 13.581 1.00 0.00 O ATOM 0 H SER A 37 52.461 4.201 9.506 1.00 0.00 H new ATOM 0 HA SER A 37 52.431 3.748 11.657 1.00 0.00 H new ATOM 0 HB2 SER A 37 54.575 5.048 11.728 1.00 0.00 H new ATOM 0 HB3 SER A 37 53.673 6.521 12.024 1.00 0.00 H new ATOM 0 HG SER A 37 52.781 5.283 13.946 1.00 0.00 H new ATOM 514 N ALA A 38 50.221 5.847 11.321 1.00 0.00 N ATOM 515 CA ALA A 38 48.984 6.394 11.856 1.00 0.00 C ATOM 516 C ALA A 38 47.773 5.568 11.443 1.00 0.00 C ATOM 517 O ALA A 38 46.684 5.731 11.992 1.00 0.00 O ATOM 518 CB ALA A 38 48.821 7.845 11.437 1.00 0.00 C ATOM 0 H ALA A 38 50.300 5.874 10.304 1.00 0.00 H new ATOM 0 HA ALA A 38 49.046 6.350 12.943 1.00 0.00 H new ATOM 0 HB1 ALA A 38 47.891 8.239 11.845 1.00 0.00 H new ATOM 0 HB2 ALA A 38 49.660 8.429 11.815 1.00 0.00 H new ATOM 0 HB3 ALA A 38 48.796 7.909 10.349 1.00 0.00 H new ATOM 524 N SER A 39 47.961 4.687 10.478 1.00 0.00 N ATOM 525 CA SER A 39 46.889 3.814 10.032 1.00 0.00 C ATOM 526 C SER A 39 47.144 2.381 10.486 1.00 0.00 C ATOM 527 O SER A 39 46.302 1.760 11.132 1.00 0.00 O ATOM 528 CB SER A 39 46.772 3.878 8.510 1.00 0.00 C ATOM 529 OG SER A 39 48.046 3.714 7.904 1.00 0.00 O ATOM 0 H SER A 39 48.846 4.556 9.987 1.00 0.00 H new ATOM 0 HA SER A 39 45.951 4.150 10.475 1.00 0.00 H new ATOM 0 HB2 SER A 39 46.093 3.101 8.159 1.00 0.00 H new ATOM 0 HB3 SER A 39 46.342 4.835 8.213 1.00 0.00 H new ATOM 0 HG SER A 39 48.231 2.759 7.784 1.00 0.00 H new ATOM 535 N CYS A 40 48.315 1.865 10.153 1.00 0.00 N ATOM 536 CA CYS A 40 48.658 0.496 10.470 1.00 0.00 C ATOM 537 C CYS A 40 49.390 0.428 11.794 1.00 0.00 C ATOM 538 O CYS A 40 50.240 1.273 12.083 1.00 0.00 O ATOM 539 CB CYS A 40 49.532 -0.104 9.374 1.00 0.00 C ATOM 540 SG CYS A 40 48.932 0.207 7.686 1.00 0.00 S ATOM 0 H CYS A 40 49.045 2.380 9.661 1.00 0.00 H new ATOM 0 HA CYS A 40 47.734 -0.077 10.542 1.00 0.00 H new ATOM 0 HB2 CYS A 40 50.541 0.298 9.469 1.00 0.00 H new ATOM 0 HB3 CYS A 40 49.602 -1.181 9.530 1.00 0.00 H new ATOM 545 N ALA A 41 49.055 -0.567 12.598 1.00 0.00 N ATOM 546 CA ALA A 41 49.807 -0.843 13.805 1.00 0.00 C ATOM 547 C ALA A 41 51.163 -1.419 13.425 1.00 0.00 C ATOM 548 O ALA A 41 51.307 -2.628 13.249 1.00 0.00 O ATOM 549 CB ALA A 41 49.033 -1.788 14.703 1.00 0.00 C ATOM 0 H ALA A 41 48.268 -1.195 12.435 1.00 0.00 H new ATOM 0 HA ALA A 41 49.964 0.080 14.363 1.00 0.00 H new ATOM 0 HB1 ALA A 41 49.610 -1.986 15.606 1.00 0.00 H new ATOM 0 HB2 ALA A 41 48.080 -1.334 14.974 1.00 0.00 H new ATOM 0 HB3 ALA A 41 48.851 -2.724 14.175 1.00 0.00 H new ATOM 555 N TYR A 42 52.117 -0.513 13.231 1.00 0.00 N ATOM 556 CA TYR A 42 53.462 -0.826 12.749 1.00 0.00 C ATOM 557 C TYR A 42 54.052 -2.118 13.304 1.00 0.00 C ATOM 558 O TYR A 42 54.413 -2.197 14.477 1.00 0.00 O ATOM 559 CB TYR A 42 54.403 0.331 13.078 1.00 0.00 C ATOM 560 CG TYR A 42 54.979 0.987 11.858 1.00 0.00 C ATOM 561 CD1 TYR A 42 54.158 1.646 10.955 1.00 0.00 C ATOM 562 CD2 TYR A 42 56.339 0.935 11.599 1.00 0.00 C ATOM 563 CE1 TYR A 42 54.676 2.240 9.827 1.00 0.00 C ATOM 564 CE2 TYR A 42 56.870 1.525 10.476 1.00 0.00 C ATOM 565 CZ TYR A 42 56.037 2.175 9.591 1.00 0.00 C ATOM 566 OH TYR A 42 56.572 2.756 8.473 1.00 0.00 O ATOM 0 H TYR A 42 51.975 0.481 13.408 1.00 0.00 H new ATOM 0 HA TYR A 42 53.363 -0.973 11.674 1.00 0.00 H new ATOM 0 HB2 TYR A 42 53.863 1.076 13.663 1.00 0.00 H new ATOM 0 HB3 TYR A 42 55.216 -0.037 13.704 1.00 0.00 H new ATOM 0 HD1 TYR A 42 53.095 1.694 11.140 1.00 0.00 H new ATOM 0 HD2 TYR A 42 56.992 0.423 12.290 1.00 0.00 H new ATOM 0 HE1 TYR A 42 54.026 2.752 9.133 1.00 0.00 H new ATOM 0 HE2 TYR A 42 57.933 1.479 10.289 1.00 0.00 H new ATOM 0 HH TYR A 42 56.665 3.721 8.618 1.00 0.00 H new ATOM 576 N PRO A 43 54.147 -3.151 12.446 1.00 0.00 N ATOM 577 CA PRO A 43 54.949 -4.334 12.721 1.00 0.00 C ATOM 578 C PRO A 43 56.371 -4.123 12.230 1.00 0.00 C ATOM 579 O PRO A 43 57.259 -4.942 12.458 1.00 0.00 O ATOM 580 CB PRO A 43 54.241 -5.419 11.916 1.00 0.00 C ATOM 581 CG PRO A 43 53.670 -4.702 10.734 1.00 0.00 C ATOM 582 CD PRO A 43 53.450 -3.263 11.149 1.00 0.00 C ATOM 0 HA PRO A 43 55.030 -4.579 13.780 1.00 0.00 H new ATOM 0 HB2 PRO A 43 54.936 -6.200 11.608 1.00 0.00 H new ATOM 0 HB3 PRO A 43 53.459 -5.901 12.503 1.00 0.00 H new ATOM 0 HG2 PRO A 43 54.350 -4.758 9.884 1.00 0.00 H new ATOM 0 HG3 PRO A 43 52.732 -5.161 10.422 1.00 0.00 H new ATOM 0 HD2 PRO A 43 53.860 -2.569 10.415 1.00 0.00 H new ATOM 0 HD3 PRO A 43 52.389 -3.034 11.246 1.00 0.00 H new ATOM 590 N THR A 44 56.548 -2.991 11.558 1.00 0.00 N ATOM 591 CA THR A 44 57.825 -2.559 11.028 1.00 0.00 C ATOM 592 C THR A 44 58.310 -3.422 9.869 1.00 0.00 C ATOM 593 O THR A 44 58.926 -4.469 10.072 1.00 0.00 O ATOM 594 CB THR A 44 58.918 -2.506 12.098 1.00 0.00 C ATOM 595 OG1 THR A 44 58.510 -1.652 13.178 1.00 0.00 O ATOM 596 CG2 THR A 44 60.194 -1.989 11.467 1.00 0.00 C ATOM 0 H THR A 44 55.788 -2.338 11.365 1.00 0.00 H new ATOM 0 HA THR A 44 57.642 -1.550 10.658 1.00 0.00 H new ATOM 0 HB THR A 44 59.090 -3.504 12.501 1.00 0.00 H new ATOM 0 HG1 THR A 44 59.215 -1.626 13.858 1.00 0.00 H new ATOM 0 HG21 THR A 44 60.981 -1.947 12.220 1.00 0.00 H new ATOM 0 HG22 THR A 44 60.498 -2.657 10.661 1.00 0.00 H new ATOM 0 HG23 THR A 44 60.022 -0.991 11.065 1.00 0.00 H new ATOM 604 N CYS A 45 57.996 -2.968 8.663 1.00 0.00 N ATOM 605 CA CYS A 45 58.594 -3.487 7.432 1.00 0.00 C ATOM 606 C CYS A 45 58.106 -4.889 7.091 1.00 0.00 C ATOM 607 O CYS A 45 58.034 -5.776 7.940 1.00 0.00 O ATOM 608 CB CYS A 45 60.118 -3.482 7.532 1.00 0.00 C ATOM 609 SG CYS A 45 60.827 -1.888 8.043 1.00 0.00 S ATOM 0 H CYS A 45 57.315 -2.225 8.506 1.00 0.00 H new ATOM 0 HA CYS A 45 58.277 -2.824 6.627 1.00 0.00 H new ATOM 0 HB2 CYS A 45 60.427 -4.249 8.243 1.00 0.00 H new ATOM 0 HB3 CYS A 45 60.535 -3.759 6.564 1.00 0.00 H new ATOM 614 N PHE A 46 57.770 -5.077 5.835 1.00 0.00 N ATOM 615 CA PHE A 46 57.304 -6.369 5.361 1.00 0.00 C ATOM 616 C PHE A 46 57.819 -6.635 3.957 1.00 0.00 C ATOM 617 O PHE A 46 57.853 -5.742 3.121 1.00 0.00 O ATOM 618 CB PHE A 46 55.771 -6.471 5.381 1.00 0.00 C ATOM 619 CG PHE A 46 55.038 -5.187 5.696 1.00 0.00 C ATOM 620 CD1 PHE A 46 55.015 -4.675 6.988 1.00 0.00 C ATOM 621 CD2 PHE A 46 54.361 -4.504 4.701 1.00 0.00 C ATOM 622 CE1 PHE A 46 54.332 -3.510 7.276 1.00 0.00 C ATOM 623 CE2 PHE A 46 53.677 -3.339 4.979 1.00 0.00 C ATOM 624 CZ PHE A 46 53.662 -2.838 6.269 1.00 0.00 C ATOM 0 H PHE A 46 57.809 -4.352 5.118 1.00 0.00 H new ATOM 0 HA PHE A 46 57.698 -7.123 6.042 1.00 0.00 H new ATOM 0 HB2 PHE A 46 55.435 -6.831 4.409 1.00 0.00 H new ATOM 0 HB3 PHE A 46 55.484 -7.223 6.116 1.00 0.00 H new ATOM 0 HD1 PHE A 46 55.538 -5.195 7.777 1.00 0.00 H new ATOM 0 HD2 PHE A 46 54.368 -4.889 3.692 1.00 0.00 H new ATOM 0 HE1 PHE A 46 54.321 -3.124 8.285 1.00 0.00 H new ATOM 0 HE2 PHE A 46 53.154 -2.818 4.191 1.00 0.00 H new ATOM 0 HZ PHE A 46 53.129 -1.925 6.489 1.00 0.00 H new ATOM 634 N PRO A 47 58.225 -7.880 3.681 1.00 0.00 N ATOM 635 CA PRO A 47 58.775 -8.274 2.380 1.00 0.00 C ATOM 636 C PRO A 47 57.699 -8.458 1.306 1.00 0.00 C ATOM 637 O PRO A 47 57.794 -9.360 0.477 1.00 0.00 O ATOM 638 CB PRO A 47 59.468 -9.617 2.674 1.00 0.00 C ATOM 639 CG PRO A 47 59.382 -9.811 4.156 1.00 0.00 C ATOM 640 CD PRO A 47 58.202 -9.010 4.612 1.00 0.00 C ATOM 0 HA PRO A 47 59.440 -7.508 1.981 1.00 0.00 H new ATOM 0 HB2 PRO A 47 58.977 -10.433 2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 47 60.506 -9.601 2.342 1.00 0.00 H new ATOM 0 HG2 PRO A 47 59.257 -10.865 4.404 1.00 0.00 H new ATOM 0 HG3 PRO A 47 60.295 -9.474 4.647 1.00 0.00 H new ATOM 0 HD2 PRO A 47 57.273 -9.576 4.544 1.00 0.00 H new ATOM 0 HD3 PRO A 47 58.303 -8.687 5.648 1.00 0.00 H new ATOM 648 N LEU A 48 56.688 -7.592 1.304 1.00 0.00 N ATOM 649 CA LEU A 48 55.644 -7.655 0.283 1.00 0.00 C ATOM 650 C LEU A 48 56.202 -7.141 -1.040 1.00 0.00 C ATOM 651 O LEU A 48 55.945 -7.702 -2.104 1.00 0.00 O ATOM 652 CB LEU A 48 54.413 -6.828 0.682 1.00 0.00 C ATOM 653 CG LEU A 48 53.814 -7.138 2.058 1.00 0.00 C ATOM 654 CD1 LEU A 48 52.673 -6.176 2.367 1.00 0.00 C ATOM 655 CD2 LEU A 48 53.323 -8.575 2.118 1.00 0.00 C ATOM 0 H LEU A 48 56.569 -6.846 1.990 1.00 0.00 H new ATOM 0 HA LEU A 48 55.329 -8.693 0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 48 54.684 -5.773 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 48 53.639 -6.978 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 48 54.594 -7.010 2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 48 52.257 -6.408 3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 48 53.049 -5.153 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 48 51.896 -6.278 1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 48 52.901 -8.775 3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 48 52.558 -8.730 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 48 54.157 -9.252 1.936 1.00 0.00 H new ATOM 667 N THR A 49 56.972 -6.062 -0.954 1.00 0.00 N ATOM 668 CA THR A 49 57.630 -5.491 -2.117 1.00 0.00 C ATOM 669 C THR A 49 58.759 -4.558 -1.656 1.00 0.00 C ATOM 670 O THR A 49 58.981 -3.476 -2.205 1.00 0.00 O ATOM 671 CB THR A 49 56.604 -4.744 -3.011 1.00 0.00 C ATOM 672 OG1 THR A 49 57.175 -4.437 -4.289 1.00 0.00 O ATOM 673 CG2 THR A 49 56.109 -3.463 -2.352 1.00 0.00 C ATOM 0 H THR A 49 57.155 -5.564 -0.083 1.00 0.00 H new ATOM 0 HA THR A 49 58.064 -6.289 -2.719 1.00 0.00 H new ATOM 0 HB THR A 49 55.752 -5.410 -3.146 1.00 0.00 H new ATOM 0 HG1 THR A 49 56.513 -3.968 -4.839 1.00 0.00 H new ATOM 0 HG21 THR A 49 55.393 -2.969 -3.009 1.00 0.00 H new ATOM 0 HG22 THR A 49 55.626 -3.704 -1.405 1.00 0.00 H new ATOM 0 HG23 THR A 49 56.953 -2.798 -2.170 1.00 0.00 H new ATOM 681 N GLN A 50 59.518 -5.025 -0.675 1.00 0.00 N ATOM 682 CA GLN A 50 60.538 -4.209 -0.045 1.00 0.00 C ATOM 683 C GLN A 50 61.892 -4.895 -0.090 1.00 0.00 C ATOM 684 O GLN A 50 62.001 -6.077 -0.418 1.00 0.00 O ATOM 685 CB GLN A 50 60.198 -3.921 1.419 1.00 0.00 C ATOM 686 CG GLN A 50 58.934 -3.117 1.634 1.00 0.00 C ATOM 687 CD GLN A 50 58.947 -2.397 2.968 1.00 0.00 C ATOM 688 OE1 GLN A 50 58.626 -2.978 4.008 1.00 0.00 O ATOM 689 NE2 GLN A 50 59.296 -1.121 2.946 1.00 0.00 N ATOM 0 H GLN A 50 59.444 -5.970 -0.299 1.00 0.00 H new ATOM 0 HA GLN A 50 60.576 -3.273 -0.603 1.00 0.00 H new ATOM 0 HB2 GLN A 50 60.102 -4.869 1.948 1.00 0.00 H new ATOM 0 HB3 GLN A 50 61.033 -3.386 1.872 1.00 0.00 H new ATOM 0 HG2 GLN A 50 58.824 -2.390 0.829 1.00 0.00 H new ATOM 0 HG3 GLN A 50 58.069 -3.779 1.586 1.00 0.00 H new ATOM 0 HE21 GLN A 50 59.555 -0.678 2.064 1.00 0.00 H new ATOM 0 HE22 GLN A 50 59.306 -0.580 3.811 1.00 0.00 H new ATOM 698 N PHE A 51 62.908 -4.130 0.251 1.00 0.00 N ATOM 699 CA PHE A 51 64.249 -4.637 0.456 1.00 0.00 C ATOM 700 C PHE A 51 64.747 -4.088 1.786 1.00 0.00 C ATOM 701 O PHE A 51 64.227 -3.086 2.276 1.00 0.00 O ATOM 702 CB PHE A 51 65.165 -4.208 -0.700 1.00 0.00 C ATOM 703 CG PHE A 51 66.581 -4.704 -0.578 1.00 0.00 C ATOM 704 CD1 PHE A 51 66.891 -6.030 -0.831 1.00 0.00 C ATOM 705 CD2 PHE A 51 67.600 -3.840 -0.207 1.00 0.00 C ATOM 706 CE1 PHE A 51 68.189 -6.486 -0.717 1.00 0.00 C ATOM 707 CE2 PHE A 51 68.902 -4.291 -0.090 1.00 0.00 C ATOM 708 CZ PHE A 51 69.195 -5.616 -0.346 1.00 0.00 C ATOM 0 H PHE A 51 62.824 -3.124 0.396 1.00 0.00 H new ATOM 0 HA PHE A 51 64.252 -5.727 0.479 1.00 0.00 H new ATOM 0 HB2 PHE A 51 64.744 -4.571 -1.637 1.00 0.00 H new ATOM 0 HB3 PHE A 51 65.176 -3.119 -0.756 1.00 0.00 H new ATOM 0 HD1 PHE A 51 66.108 -6.715 -1.121 1.00 0.00 H new ATOM 0 HD2 PHE A 51 67.374 -2.803 -0.007 1.00 0.00 H new ATOM 0 HE1 PHE A 51 68.417 -7.522 -0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 51 69.687 -3.609 0.201 1.00 0.00 H new ATOM 0 HZ PHE A 51 70.211 -5.972 -0.256 1.00 0.00 H new ATOM 718 N THR A 52 65.737 -4.719 2.375 1.00 0.00 N ATOM 719 CA THR A 52 66.218 -4.284 3.666 1.00 0.00 C ATOM 720 C THR A 52 67.566 -3.592 3.528 1.00 0.00 C ATOM 721 O THR A 52 68.601 -4.243 3.387 1.00 0.00 O ATOM 722 CB THR A 52 66.339 -5.471 4.640 1.00 0.00 C ATOM 723 OG1 THR A 52 65.110 -6.211 4.653 1.00 0.00 O ATOM 724 CG2 THR A 52 66.650 -4.990 6.048 1.00 0.00 C ATOM 0 H THR A 52 66.221 -5.528 1.985 1.00 0.00 H new ATOM 0 HA THR A 52 65.494 -3.576 4.070 1.00 0.00 H new ATOM 0 HB THR A 52 67.155 -6.109 4.302 1.00 0.00 H new ATOM 0 HG1 THR A 52 65.190 -6.967 5.272 1.00 0.00 H new ATOM 0 HG21 THR A 52 66.730 -5.848 6.716 1.00 0.00 H new ATOM 0 HG22 THR A 52 67.592 -4.442 6.046 1.00 0.00 H new ATOM 0 HG23 THR A 52 65.851 -4.335 6.393 1.00 0.00 H new ATOM 732 N CYS A 53 67.530 -2.262 3.518 1.00 0.00 N ATOM 733 CA CYS A 53 68.744 -1.463 3.525 1.00 0.00 C ATOM 734 C CYS A 53 69.602 -1.856 4.719 1.00 0.00 C ATOM 735 O CYS A 53 69.145 -1.799 5.861 1.00 0.00 O ATOM 736 CB CYS A 53 68.394 0.017 3.609 1.00 0.00 C ATOM 737 SG CYS A 53 69.680 1.124 2.962 1.00 0.00 S ATOM 0 H CYS A 53 66.668 -1.717 3.505 1.00 0.00 H new ATOM 0 HA CYS A 53 69.297 -1.644 2.603 1.00 0.00 H new ATOM 0 HB2 CYS A 53 67.469 0.192 3.059 1.00 0.00 H new ATOM 0 HB3 CYS A 53 68.199 0.274 4.650 1.00 0.00 H new ATOM 742 N ASN A 54 70.843 -2.240 4.455 1.00 0.00 N ATOM 743 CA ASN A 54 71.712 -2.800 5.490 1.00 0.00 C ATOM 744 C ASN A 54 71.940 -1.810 6.639 1.00 0.00 C ATOM 745 O ASN A 54 72.181 -2.219 7.776 1.00 0.00 O ATOM 746 CB ASN A 54 73.047 -3.245 4.882 1.00 0.00 C ATOM 747 CG ASN A 54 74.121 -2.186 4.968 1.00 0.00 C ATOM 748 OD1 ASN A 54 74.976 -2.225 5.853 1.00 0.00 O ATOM 749 ND2 ASN A 54 74.062 -1.215 4.073 1.00 0.00 N ATOM 0 H ASN A 54 71.274 -2.175 3.533 1.00 0.00 H new ATOM 0 HA ASN A 54 71.209 -3.672 5.909 1.00 0.00 H new ATOM 0 HB2 ASN A 54 73.390 -4.144 5.394 1.00 0.00 H new ATOM 0 HB3 ASN A 54 72.892 -3.512 3.837 1.00 0.00 H new ATOM 0 HD21 ASN A 54 74.743 -0.456 4.098 1.00 0.00 H new ATOM 0 HD22 ASN A 54 73.335 -1.224 3.357 1.00 0.00 H new ATOM 756 N ASN A 55 71.846 -0.512 6.346 1.00 0.00 N ATOM 757 CA ASN A 55 72.030 0.514 7.365 1.00 0.00 C ATOM 758 C ASN A 55 70.770 0.746 8.209 1.00 0.00 C ATOM 759 O ASN A 55 70.631 1.784 8.853 1.00 0.00 O ATOM 760 CB ASN A 55 72.502 1.828 6.732 1.00 0.00 C ATOM 761 CG ASN A 55 73.990 1.811 6.425 1.00 0.00 C ATOM 762 OD1 ASN A 55 74.575 0.758 6.186 1.00 0.00 O ATOM 763 ND2 ASN A 55 74.613 2.976 6.425 1.00 0.00 N ATOM 0 H ASN A 55 71.644 -0.150 5.414 1.00 0.00 H new ATOM 0 HA ASN A 55 72.801 0.147 8.042 1.00 0.00 H new ATOM 0 HB2 ASN A 55 71.944 2.008 5.813 1.00 0.00 H new ATOM 0 HB3 ASN A 55 72.281 2.655 7.406 1.00 0.00 H new ATOM 0 HD21 ASN A 55 75.612 3.020 6.222 1.00 0.00 H new ATOM 0 HD22 ASN A 55 74.095 3.831 6.628 1.00 0.00 H new ATOM 770 N GLY A 56 69.848 -0.217 8.202 1.00 0.00 N ATOM 771 CA GLY A 56 68.738 -0.189 9.146 1.00 0.00 C ATOM 772 C GLY A 56 67.410 0.206 8.529 1.00 0.00 C ATOM 773 O GLY A 56 66.373 0.121 9.181 1.00 0.00 O ATOM 0 H GLY A 56 69.849 -1.012 7.563 1.00 0.00 H new ATOM 0 HA2 GLY A 56 68.636 -1.175 9.600 1.00 0.00 H new ATOM 0 HA3 GLY A 56 68.975 0.509 9.949 1.00 0.00 H new ATOM 777 N ARG A 57 67.429 0.645 7.282 1.00 0.00 N ATOM 778 CA ARG A 57 66.202 1.077 6.621 1.00 0.00 C ATOM 779 C ARG A 57 65.538 -0.079 5.896 1.00 0.00 C ATOM 780 O ARG A 57 66.189 -1.050 5.534 1.00 0.00 O ATOM 781 CB ARG A 57 66.498 2.164 5.600 1.00 0.00 C ATOM 782 CG ARG A 57 67.271 3.336 6.150 1.00 0.00 C ATOM 783 CD ARG A 57 68.076 3.986 5.048 1.00 0.00 C ATOM 784 NE ARG A 57 69.072 4.920 5.563 1.00 0.00 N ATOM 785 CZ ARG A 57 70.354 4.901 5.195 1.00 0.00 C ATOM 786 NH1 ARG A 57 70.783 4.007 4.310 1.00 0.00 N ATOM 787 NH2 ARG A 57 71.212 5.767 5.712 1.00 0.00 N ATOM 0 H ARG A 57 68.270 0.713 6.709 1.00 0.00 H new ATOM 0 HA ARG A 57 65.537 1.458 7.396 1.00 0.00 H new ATOM 0 HB2 ARG A 57 67.060 1.728 4.774 1.00 0.00 H new ATOM 0 HB3 ARG A 57 65.556 2.526 5.188 1.00 0.00 H new ATOM 0 HG2 ARG A 57 66.585 4.062 6.587 1.00 0.00 H new ATOM 0 HG3 ARG A 57 67.934 3.003 6.948 1.00 0.00 H new ATOM 0 HD2 ARG A 57 68.575 3.214 4.462 1.00 0.00 H new ATOM 0 HD3 ARG A 57 67.402 4.513 4.372 1.00 0.00 H new ATOM 0 HE ARG A 57 68.773 5.623 6.239 1.00 0.00 H new ATOM 0 HH11 ARG A 57 70.131 3.332 3.910 1.00 0.00 H new ATOM 0 HH12 ARG A 57 71.764 3.996 4.031 1.00 0.00 H new ATOM 0 HH21 ARG A 57 70.894 6.454 6.396 1.00 0.00 H new ATOM 0 HH22 ARG A 57 72.191 5.747 5.426 1.00 0.00 H new ATOM 801 N CYS A 58 64.246 0.030 5.685 1.00 0.00 N ATOM 802 CA CYS A 58 63.551 -0.857 4.780 1.00 0.00 C ATOM 803 C CYS A 58 63.156 -0.063 3.550 1.00 0.00 C ATOM 804 O CYS A 58 62.427 0.918 3.654 1.00 0.00 O ATOM 805 CB CYS A 58 62.325 -1.435 5.471 1.00 0.00 C ATOM 806 SG CYS A 58 62.657 -1.937 7.187 1.00 0.00 S ATOM 0 H CYS A 58 63.652 0.729 6.131 1.00 0.00 H new ATOM 0 HA CYS A 58 64.193 -1.687 4.485 1.00 0.00 H new ATOM 0 HB2 CYS A 58 61.525 -0.695 5.462 1.00 0.00 H new ATOM 0 HB3 CYS A 58 61.968 -2.297 4.907 1.00 0.00 H new ATOM 811 N ILE A 59 63.659 -0.454 2.393 1.00 0.00 N ATOM 812 CA ILE A 59 63.415 0.313 1.185 1.00 0.00 C ATOM 813 C ILE A 59 62.477 -0.436 0.253 1.00 0.00 C ATOM 814 O ILE A 59 62.108 -1.573 0.522 1.00 0.00 O ATOM 815 CB ILE A 59 64.712 0.654 0.423 1.00 0.00 C ATOM 816 CG1 ILE A 59 65.424 -0.620 -0.030 1.00 0.00 C ATOM 817 CG2 ILE A 59 65.630 1.501 1.290 1.00 0.00 C ATOM 818 CD1 ILE A 59 66.511 -0.362 -1.043 1.00 0.00 C ATOM 0 H ILE A 59 64.232 -1.288 2.264 1.00 0.00 H new ATOM 0 HA ILE A 59 62.957 1.248 1.507 1.00 0.00 H new ATOM 0 HB ILE A 59 64.448 1.229 -0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 59 65.856 -1.116 0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 59 64.692 -1.306 -0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 59 66.541 1.733 0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 59 65.123 2.428 1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 59 65.885 0.951 2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 59 66.978 -1.306 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 59 66.080 0.107 -1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 59 67.262 0.299 -0.611 1.00 0.00 H new ATOM 830 N ASN A 60 62.104 0.205 -0.841 1.00 0.00 N ATOM 831 CA ASN A 60 61.233 -0.409 -1.836 1.00 0.00 C ATOM 832 C ASN A 60 62.021 -1.411 -2.677 1.00 0.00 C ATOM 833 O ASN A 60 63.188 -1.174 -2.996 1.00 0.00 O ATOM 834 CB ASN A 60 60.649 0.668 -2.746 1.00 0.00 C ATOM 835 CG ASN A 60 59.379 0.226 -3.433 1.00 0.00 C ATOM 836 OD1 ASN A 60 59.415 -0.449 -4.461 1.00 0.00 O ATOM 837 ND2 ASN A 60 58.252 0.636 -2.885 1.00 0.00 N ATOM 0 H ASN A 60 62.392 1.157 -1.066 1.00 0.00 H new ATOM 0 HA ASN A 60 60.425 -0.930 -1.322 1.00 0.00 H new ATOM 0 HB2 ASN A 60 60.446 1.563 -2.158 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.388 0.941 -3.499 1.00 0.00 H new ATOM 0 HD21 ASN A 60 57.359 0.395 -3.315 1.00 0.00 H new ATOM 0 HD22 ASN A 60 58.273 1.194 -2.031 1.00 0.00 H new ATOM 844 N ILE A 61 61.393 -2.523 -3.052 1.00 0.00 N ATOM 845 CA ILE A 61 62.087 -3.544 -3.826 1.00 0.00 C ATOM 846 C ILE A 61 62.275 -3.087 -5.274 1.00 0.00 C ATOM 847 O ILE A 61 63.160 -3.566 -5.985 1.00 0.00 O ATOM 848 CB ILE A 61 61.359 -4.906 -3.814 1.00 0.00 C ATOM 849 CG1 ILE A 61 62.354 -6.023 -4.141 1.00 0.00 C ATOM 850 CG2 ILE A 61 60.207 -4.919 -4.814 1.00 0.00 C ATOM 851 CD1 ILE A 61 61.746 -7.408 -4.141 1.00 0.00 C ATOM 0 H ILE A 61 60.419 -2.737 -2.836 1.00 0.00 H new ATOM 0 HA ILE A 61 63.056 -3.682 -3.347 1.00 0.00 H new ATOM 0 HB ILE A 61 60.944 -5.069 -2.819 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.792 -5.830 -5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 61 63.168 -5.995 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 61 59.711 -5.889 -4.785 1.00 0.00 H new ATOM 0 HG22 ILE A 61 59.492 -4.138 -4.555 1.00 0.00 H new ATOM 0 HG23 ILE A 61 60.594 -4.739 -5.817 1.00 0.00 H new ATOM 0 HD11 ILE A 61 62.514 -8.143 -4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 61 61.333 -7.624 -3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 61 60.952 -7.457 -4.886 1.00 0.00 H new ATOM 863 N ASN A 62 61.455 -2.132 -5.690 1.00 0.00 N ATOM 864 CA ASN A 62 61.426 -1.681 -7.079 1.00 0.00 C ATOM 865 C ASN A 62 62.487 -0.608 -7.314 1.00 0.00 C ATOM 866 O ASN A 62 62.396 0.181 -8.250 1.00 0.00 O ATOM 867 CB ASN A 62 60.030 -1.143 -7.429 1.00 0.00 C ATOM 868 CG ASN A 62 59.672 -1.284 -8.904 1.00 0.00 C ATOM 869 OD1 ASN A 62 58.512 -1.507 -9.246 1.00 0.00 O ATOM 870 ND2 ASN A 62 60.645 -1.130 -9.789 1.00 0.00 N ATOM 0 H ASN A 62 60.794 -1.649 -5.081 1.00 0.00 H new ATOM 0 HA ASN A 62 61.647 -2.529 -7.728 1.00 0.00 H new ATOM 0 HB2 ASN A 62 59.287 -1.671 -6.832 1.00 0.00 H new ATOM 0 HB3 ASN A 62 59.975 -0.091 -7.150 1.00 0.00 H new ATOM 0 HD21 ASN A 62 60.442 -1.195 -10.786 1.00 0.00 H new ATOM 0 HD22 ASN A 62 61.597 -0.946 -9.473 1.00 0.00 H new ATOM 877 N TRP A 63 63.512 -0.601 -6.475 1.00 0.00 N ATOM 878 CA TRP A 63 64.615 0.336 -6.639 1.00 0.00 C ATOM 879 C TRP A 63 65.852 -0.402 -7.156 1.00 0.00 C ATOM 880 O TRP A 63 66.962 0.146 -7.165 1.00 0.00 O ATOM 881 CB TRP A 63 64.932 1.063 -5.324 1.00 0.00 C ATOM 882 CG TRP A 63 63.859 1.984 -4.834 1.00 0.00 C ATOM 883 CD1 TRP A 63 62.584 2.099 -5.306 1.00 0.00 C ATOM 884 CD2 TRP A 63 63.976 2.926 -3.763 1.00 0.00 C ATOM 885 NE1 TRP A 63 61.900 3.054 -4.595 1.00 0.00 N ATOM 886 CE2 TRP A 63 62.736 3.577 -3.642 1.00 0.00 C ATOM 887 CE3 TRP A 63 65.011 3.280 -2.893 1.00 0.00 C ATOM 888 CZ2 TRP A 63 62.501 4.563 -2.688 1.00 0.00 C ATOM 889 CZ3 TRP A 63 64.779 4.262 -1.944 1.00 0.00 C ATOM 890 CH2 TRP A 63 63.532 4.892 -1.848 1.00 0.00 C ATOM 0 H TRP A 63 63.604 -1.230 -5.677 1.00 0.00 H new ATOM 0 HA TRP A 63 64.318 1.090 -7.368 1.00 0.00 H new ATOM 0 HB2 TRP A 63 65.130 0.318 -4.553 1.00 0.00 H new ATOM 0 HB3 TRP A 63 65.849 1.637 -5.456 1.00 0.00 H new ATOM 0 HD1 TRP A 63 62.172 1.522 -6.121 1.00 0.00 H new ATOM 0 HE1 TRP A 63 60.930 3.329 -4.750 1.00 0.00 H new ATOM 0 HE3 TRP A 63 65.974 2.797 -2.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 61.541 5.051 -2.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 65.572 4.546 -1.268 1.00 0.00 H new ATOM 0 HH2 TRP A 63 63.380 5.653 -1.097 1.00 0.00 H new ATOM 901 N ARG A 64 65.649 -1.664 -7.558 1.00 0.00 N ATOM 902 CA ARG A 64 66.663 -2.398 -8.310 1.00 0.00 C ATOM 903 C ARG A 64 66.619 -1.876 -9.745 1.00 0.00 C ATOM 904 O ARG A 64 65.710 -2.230 -10.496 1.00 0.00 O ATOM 905 CB ARG A 64 66.383 -3.913 -8.347 1.00 0.00 C ATOM 906 CG ARG A 64 65.914 -4.534 -7.039 1.00 0.00 C ATOM 907 CD ARG A 64 67.013 -4.646 -5.985 1.00 0.00 C ATOM 908 NE ARG A 64 68.111 -5.548 -6.351 1.00 0.00 N ATOM 909 CZ ARG A 64 67.985 -6.859 -6.578 1.00 0.00 C ATOM 910 NH1 ARG A 64 66.787 -7.436 -6.570 1.00 0.00 N ATOM 911 NH2 ARG A 64 69.070 -7.591 -6.802 1.00 0.00 N ATOM 0 H ARG A 64 64.795 -2.191 -7.374 1.00 0.00 H new ATOM 0 HA ARG A 64 67.631 -2.250 -7.831 1.00 0.00 H new ATOM 0 HB2 ARG A 64 65.628 -4.105 -9.109 1.00 0.00 H new ATOM 0 HB3 ARG A 64 67.293 -4.423 -8.664 1.00 0.00 H new ATOM 0 HG2 ARG A 64 65.096 -3.937 -6.636 1.00 0.00 H new ATOM 0 HG3 ARG A 64 65.514 -5.528 -7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 64 67.422 -3.653 -5.796 1.00 0.00 H new ATOM 0 HD3 ARG A 64 66.570 -4.992 -5.051 1.00 0.00 H new ATOM 0 HE ARG A 64 69.043 -5.143 -6.439 1.00 0.00 H new ATOM 0 HH11 ARG A 64 65.953 -6.877 -6.389 1.00 0.00 H new ATOM 0 HH12 ARG A 64 66.702 -8.437 -6.744 1.00 0.00 H new ATOM 0 HH21 ARG A 64 69.991 -7.152 -6.800 1.00 0.00 H new ATOM 0 HH22 ARG A 64 68.983 -8.592 -6.976 1.00 0.00 H new ATOM 925 N CYS A 65 67.556 -1.025 -10.124 1.00 0.00 N ATOM 926 CA CYS A 65 67.452 -0.344 -11.408 1.00 0.00 C ATOM 927 C CYS A 65 68.490 -0.815 -12.418 1.00 0.00 C ATOM 928 O CYS A 65 68.210 -1.655 -13.275 1.00 0.00 O ATOM 929 CB CYS A 65 67.564 1.172 -11.227 1.00 0.00 C ATOM 930 SG CYS A 65 66.182 1.929 -10.305 1.00 0.00 S ATOM 0 H CYS A 65 68.383 -0.790 -9.575 1.00 0.00 H new ATOM 0 HA CYS A 65 66.470 -0.598 -11.808 1.00 0.00 H new ATOM 0 HB2 CYS A 65 68.496 1.395 -10.708 1.00 0.00 H new ATOM 0 HB3 CYS A 65 67.627 1.639 -12.210 1.00 0.00 H new ATOM 0 HG CYS A 65 66.376 3.211 -10.207 1.00 0.00 H new ATOM 935 N ASP A 66 69.678 -0.264 -12.307 1.00 0.00 N ATOM 936 CA ASP A 66 70.719 -0.441 -13.311 1.00 0.00 C ATOM 937 C ASP A 66 71.460 -1.760 -13.131 1.00 0.00 C ATOM 938 O ASP A 66 71.691 -2.487 -14.101 1.00 0.00 O ATOM 939 CB ASP A 66 71.696 0.739 -13.265 1.00 0.00 C ATOM 940 CG ASP A 66 72.292 0.961 -11.889 1.00 0.00 C ATOM 941 OD1 ASP A 66 71.514 1.107 -10.916 1.00 0.00 O ATOM 942 OD2 ASP A 66 73.533 0.991 -11.787 1.00 0.00 O ATOM 0 H ASP A 66 69.956 0.321 -11.519 1.00 0.00 H new ATOM 0 HA ASP A 66 70.240 -0.471 -14.290 1.00 0.00 H new ATOM 0 HB2 ASP A 66 72.500 0.566 -13.980 1.00 0.00 H new ATOM 0 HB3 ASP A 66 71.178 1.645 -13.581 1.00 0.00 H new ATOM 947 N ASN A 67 71.835 -2.069 -11.899 1.00 0.00 N ATOM 948 CA ASN A 67 72.492 -3.325 -11.601 1.00 0.00 C ATOM 949 C ASN A 67 71.832 -3.986 -10.402 1.00 0.00 C ATOM 950 O ASN A 67 71.363 -5.123 -10.490 1.00 0.00 O ATOM 951 CB ASN A 67 73.989 -3.126 -11.349 1.00 0.00 C ATOM 952 CG ASN A 67 74.731 -2.609 -12.567 1.00 0.00 C ATOM 953 OD1 ASN A 67 75.237 -3.383 -13.384 1.00 0.00 O ATOM 954 ND2 ASN A 67 74.811 -1.294 -12.699 1.00 0.00 N ATOM 0 H ASN A 67 71.694 -1.464 -11.090 1.00 0.00 H new ATOM 0 HA ASN A 67 72.388 -3.977 -12.468 1.00 0.00 H new ATOM 0 HB2 ASN A 67 74.123 -2.426 -10.524 1.00 0.00 H new ATOM 0 HB3 ASN A 67 74.429 -4.074 -11.038 1.00 0.00 H new ATOM 0 HD21 ASN A 67 75.303 -0.890 -13.496 1.00 0.00 H new ATOM 0 HD22 ASN A 67 74.380 -0.685 -12.004 1.00 0.00 H new ATOM 961 N ASP A 68 71.781 -3.276 -9.286 1.00 0.00 N ATOM 962 CA ASP A 68 71.063 -3.766 -8.127 1.00 0.00 C ATOM 963 C ASP A 68 70.137 -2.674 -7.598 1.00 0.00 C ATOM 964 O ASP A 68 69.492 -1.992 -8.383 1.00 0.00 O ATOM 965 CB ASP A 68 72.020 -4.258 -7.037 1.00 0.00 C ATOM 966 CG ASP A 68 71.352 -5.282 -6.139 1.00 0.00 C ATOM 967 OD1 ASP A 68 70.721 -4.884 -5.142 1.00 0.00 O ATOM 968 OD2 ASP A 68 71.414 -6.488 -6.460 1.00 0.00 O ATOM 0 H ASP A 68 72.225 -2.366 -9.161 1.00 0.00 H new ATOM 0 HA ASP A 68 70.462 -4.623 -8.429 1.00 0.00 H new ATOM 0 HB2 ASP A 68 72.905 -4.697 -7.498 1.00 0.00 H new ATOM 0 HB3 ASP A 68 72.359 -3.412 -6.439 1.00 0.00 H new ATOM 973 N ASN A 69 70.133 -2.451 -6.290 1.00 0.00 N ATOM 974 CA ASN A 69 69.095 -1.647 -5.638 1.00 0.00 C ATOM 975 C ASN A 69 69.639 -0.251 -5.322 1.00 0.00 C ATOM 976 O ASN A 69 70.643 0.165 -5.899 1.00 0.00 O ATOM 977 CB ASN A 69 68.657 -2.363 -4.346 1.00 0.00 C ATOM 978 CG ASN A 69 67.208 -2.131 -3.940 1.00 0.00 C ATOM 979 OD1 ASN A 69 66.581 -2.998 -3.337 1.00 0.00 O ATOM 980 ND2 ASN A 69 66.654 -0.989 -4.274 1.00 0.00 N ATOM 0 H ASN A 69 70.840 -2.816 -5.652 1.00 0.00 H new ATOM 0 HA ASN A 69 68.236 -1.535 -6.300 1.00 0.00 H new ATOM 0 HB2 ASN A 69 68.816 -3.434 -4.470 1.00 0.00 H new ATOM 0 HB3 ASN A 69 69.303 -2.037 -3.531 1.00 0.00 H new ATOM 0 HD21 ASN A 69 65.680 -0.805 -4.033 1.00 0.00 H new ATOM 0 HD22 ASN A 69 67.197 -0.286 -4.775 1.00 0.00 H new ATOM 987 N ASP A 70 68.993 0.473 -4.407 1.00 0.00 N ATOM 988 CA ASP A 70 69.340 1.869 -4.177 1.00 0.00 C ATOM 989 C ASP A 70 69.146 2.258 -2.717 1.00 0.00 C ATOM 990 O ASP A 70 68.041 2.184 -2.182 1.00 0.00 O ATOM 991 CB ASP A 70 68.497 2.780 -5.067 1.00 0.00 C ATOM 992 CG ASP A 70 69.288 3.967 -5.564 1.00 0.00 C ATOM 993 OD1 ASP A 70 70.106 3.774 -6.483 1.00 0.00 O ATOM 994 OD2 ASP A 70 69.100 5.089 -5.048 1.00 0.00 O ATOM 0 H ASP A 70 68.237 0.118 -3.822 1.00 0.00 H new ATOM 0 HA ASP A 70 70.394 1.991 -4.427 1.00 0.00 H new ATOM 0 HB2 ASP A 70 68.122 2.211 -5.918 1.00 0.00 H new ATOM 0 HB3 ASP A 70 67.628 3.130 -4.510 1.00 0.00 H new ATOM 999 N CYS A 71 70.235 2.664 -2.080 1.00 0.00 N ATOM 1000 CA CYS A 71 70.197 3.150 -0.706 1.00 0.00 C ATOM 1001 C CYS A 71 71.052 4.398 -0.552 1.00 0.00 C ATOM 1002 O CYS A 71 70.558 5.452 -0.159 1.00 0.00 O ATOM 1003 CB CYS A 71 70.682 2.082 0.270 1.00 0.00 C ATOM 1004 SG CYS A 71 69.368 1.038 0.959 1.00 0.00 S ATOM 0 H CYS A 71 71.166 2.666 -2.497 1.00 0.00 H new ATOM 0 HA CYS A 71 69.160 3.393 -0.475 1.00 0.00 H new ATOM 0 HB2 CYS A 71 71.405 1.445 -0.239 1.00 0.00 H new ATOM 0 HB3 CYS A 71 71.208 2.570 1.090 1.00 0.00 H new ATOM 1009 N GLY A 72 72.342 4.269 -0.854 1.00 0.00 N ATOM 1010 CA GLY A 72 73.237 5.404 -0.768 1.00 0.00 C ATOM 1011 C GLY A 72 74.530 5.081 -0.049 1.00 0.00 C ATOM 1012 O GLY A 72 75.606 5.464 -0.501 1.00 0.00 O ATOM 0 H GLY A 72 72.780 3.399 -1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 72 73.465 5.758 -1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 72 72.733 6.220 -0.250 1.00 0.00 H new ATOM 1016 N ASP A 73 74.443 4.356 1.057 1.00 0.00 N ATOM 1017 CA ASP A 73 75.599 4.142 1.907 1.00 0.00 C ATOM 1018 C ASP A 73 76.036 2.686 1.922 1.00 0.00 C ATOM 1019 O ASP A 73 75.824 1.963 2.894 1.00 0.00 O ATOM 1020 CB ASP A 73 75.345 4.649 3.332 1.00 0.00 C ATOM 1021 CG ASP A 73 73.929 4.417 3.830 1.00 0.00 C ATOM 1022 OD1 ASP A 73 73.201 3.566 3.264 1.00 0.00 O ATOM 1023 OD2 ASP A 73 73.526 5.106 4.790 1.00 0.00 O ATOM 0 H ASP A 73 73.586 3.909 1.383 1.00 0.00 H new ATOM 0 HA ASP A 73 76.416 4.723 1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 73 76.042 4.158 4.011 1.00 0.00 H new ATOM 0 HB3 ASP A 73 75.562 5.717 3.370 1.00 0.00 H new ATOM 1028 N ASN A 74 76.609 2.266 0.798 1.00 0.00 N ATOM 1029 CA ASN A 74 77.310 0.979 0.685 1.00 0.00 C ATOM 1030 C ASN A 74 76.389 -0.197 1.015 1.00 0.00 C ATOM 1031 O ASN A 74 76.810 -1.195 1.596 1.00 0.00 O ATOM 1032 CB ASN A 74 78.542 0.970 1.605 1.00 0.00 C ATOM 1033 CG ASN A 74 79.644 0.015 1.146 1.00 0.00 C ATOM 1034 OD1 ASN A 74 80.826 0.308 1.316 1.00 0.00 O ATOM 1035 ND2 ASN A 74 79.281 -1.135 0.591 1.00 0.00 N ATOM 0 H ASN A 74 76.603 2.807 -0.067 1.00 0.00 H new ATOM 0 HA ASN A 74 77.633 0.862 -0.350 1.00 0.00 H new ATOM 0 HB2 ASN A 74 78.949 1.980 1.663 1.00 0.00 H new ATOM 0 HB3 ASN A 74 78.230 0.694 2.612 1.00 0.00 H new ATOM 0 HD21 ASN A 74 79.991 -1.804 0.292 1.00 0.00 H new ATOM 0 HD22 ASN A 74 78.292 -1.350 0.463 1.00 0.00 H new ATOM 1042 N SER A 75 75.137 -0.077 0.629 1.00 0.00 N ATOM 1043 CA SER A 75 74.179 -1.150 0.826 1.00 0.00 C ATOM 1044 C SER A 75 74.171 -2.066 -0.401 1.00 0.00 C ATOM 1045 O SER A 75 75.207 -2.600 -0.793 1.00 0.00 O ATOM 1046 CB SER A 75 72.789 -0.551 1.090 1.00 0.00 C ATOM 1047 OG SER A 75 71.871 -1.523 1.567 1.00 0.00 O ATOM 0 H SER A 75 74.756 0.753 0.176 1.00 0.00 H new ATOM 0 HA SER A 75 74.462 -1.750 1.691 1.00 0.00 H new ATOM 0 HB2 SER A 75 72.874 0.255 1.819 1.00 0.00 H new ATOM 0 HB3 SER A 75 72.404 -0.110 0.171 1.00 0.00 H new ATOM 0 HG SER A 75 70.966 -1.292 1.269 1.00 0.00 H new ATOM 1053 N ASP A 76 72.995 -2.225 -0.983 1.00 0.00 N ATOM 1054 CA ASP A 76 72.793 -2.920 -2.248 1.00 0.00 C ATOM 1055 C ASP A 76 73.786 -2.448 -3.303 1.00 0.00 C ATOM 1056 O ASP A 76 74.610 -3.216 -3.795 1.00 0.00 O ATOM 1057 CB ASP A 76 71.374 -2.609 -2.707 1.00 0.00 C ATOM 1058 CG ASP A 76 70.975 -1.217 -2.258 1.00 0.00 C ATOM 1059 OD1 ASP A 76 71.293 -0.243 -2.971 1.00 0.00 O ATOM 1060 OD2 ASP A 76 70.403 -1.091 -1.153 1.00 0.00 O ATOM 0 H ASP A 76 72.130 -1.866 -0.580 1.00 0.00 H new ATOM 0 HA ASP A 76 72.946 -3.991 -2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 76 71.310 -2.682 -3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.681 -3.344 -2.297 1.00 0.00 H new ATOM 1065 N GLU A 77 73.707 -1.165 -3.616 1.00 0.00 N ATOM 1066 CA GLU A 77 74.508 -0.568 -4.669 1.00 0.00 C ATOM 1067 C GLU A 77 74.357 0.938 -4.663 1.00 0.00 C ATOM 1068 O GLU A 77 75.321 1.668 -4.418 1.00 0.00 O ATOM 1069 CB GLU A 77 74.085 -1.121 -6.030 1.00 0.00 C ATOM 1070 CG GLU A 77 74.635 -0.332 -7.203 1.00 0.00 C ATOM 1071 CD GLU A 77 74.111 -0.834 -8.523 1.00 0.00 C ATOM 1072 OE1 GLU A 77 72.867 -0.918 -8.680 1.00 0.00 O ATOM 1073 OE2 GLU A 77 74.943 -1.144 -9.405 1.00 0.00 O ATOM 0 H GLU A 77 73.084 -0.508 -3.146 1.00 0.00 H new ATOM 0 HA GLU A 77 75.553 -0.818 -4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.417 -2.156 -6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 77 72.997 -1.130 -6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 77 74.373 0.719 -7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 77 75.723 -0.391 -7.200 1.00 0.00 H new ATOM 1080 N ALA A 78 73.124 1.368 -4.883 1.00 0.00 N ATOM 1081 CA ALA A 78 72.780 2.775 -5.075 1.00 0.00 C ATOM 1082 C ALA A 78 73.380 3.326 -6.368 1.00 0.00 C ATOM 1083 O ALA A 78 74.421 3.986 -6.353 1.00 0.00 O ATOM 1084 CB ALA A 78 73.202 3.623 -3.884 1.00 0.00 C ATOM 0 H ALA A 78 72.320 0.743 -4.935 1.00 0.00 H new ATOM 0 HA ALA A 78 71.694 2.829 -5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 78 72.930 4.663 -4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 78 72.698 3.266 -2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 78 74.281 3.549 -3.748 1.00 0.00 H new